7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C15H20N3O+ — CID 6993623

IUPAC7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C[NH+]3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C15H19N3O/c1-12-5-6-14-16-13(9-15(19)18(14)10-12)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/p+1
InChIKeyILGQMUKEXZUNBU-UHFFFAOYSA-O
MW258.34 g/mol
LogP0.57
Rot. Bonds2

About 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 6993623) has the molecular formula C15H20N3O+ and a molecular weight of 258.34 g/mol. Its IUPAC name is 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID6993623
Molecular FormulaC15H20N3O+
Molecular Weight258.34 g/mol
Exact Mass258.16
IUPAC Name7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C[NH+]3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C15H19N3O/c1-12-5-6-14-16-13(9-15(19)18(14)10-12)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/p+1
InChIKeyILGQMUKEXZUNBU-UHFFFAOYSA-O
XLogP0.57
TPSA38.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 6993623) is 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C[NH+]3CCCCC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ILGQMUKEXZUNBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O/c1-12-5-6-14-16-13(9-15(19)18(14)10-12)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/p+1.
What are the key properties of 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 258.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 6993623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).